benzene;1,4-dimethoxybutane;ethane

C14H26O2 — CID 143037536

IUPACbenzene;1,4-dimethoxybutane;ethane
SMILESCC.COCCCCOC.c1ccccc1
InChIInChI=1S/C6H14O2.C6H6.C2H6/c1-7-5-3-4-6-8-2;1-2-4-6-5-3-1;1-2/h3-6H2,1-2H3;1-6H;1-2H3
InChIKeyYYCANUZGWFNBCF-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.77
Rot. Bonds5

About benzene;1,4-dimethoxybutane;ethane

benzene;1,4-dimethoxybutane;ethane (PubChem CID 143037536) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is benzene;1,4-dimethoxybutane;ethane.

Molecular Properties

Compound Namebenzene;1,4-dimethoxybutane;ethane
PubChem CID143037536
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namebenzene;1,4-dimethoxybutane;ethane
SMILESCC.COCCCCOC.c1ccccc1
InChIInChI=1S/C6H14O2.C6H6.C2H6/c1-7-5-3-4-6-8-2;1-2-4-6-5-3-1;1-2/h3-6H2,1-2H3;1-6H;1-2H3
InChIKeyYYCANUZGWFNBCF-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methoxyheptylbenzene
CID 54276867
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698
1,2-dimethoxyethane;ethane
CID 91349162
4-methoxybutyl(triphenyl)phosphanium
CID 86618875
N-(4-methoxybutyl)aniline
CID 13042774
1-methoxyhexacosane
CID 20780514
lithium 1-methoxybutane
CID 10877055
1-fluoro-4-methoxybutane
CID 20582799
ethane;1-methoxy-4-(4-methoxybutoxy)benzene
CID 143283261
[2-(bromomethyl)-6-methoxyhexyl]benzene
CID 104650695
[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056

Frequently Asked Questions

What is the IUPAC name of benzene;1,4-dimethoxybutane;ethane?
The IUPAC name of benzene;1,4-dimethoxybutane;ethane (CID 143037536) is benzene;1,4-dimethoxybutane;ethane.
What is the SMILES notation for benzene;1,4-dimethoxybutane;ethane?
The canonical SMILES for benzene;1,4-dimethoxybutane;ethane is CC.COCCCCOC.c1ccccc1.
What is the InChIKey of benzene;1,4-dimethoxybutane;ethane?
The InChIKey is YYCANUZGWFNBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C6H6.C2H6/c1-7-5-3-4-6-8-2;1-2-4-6-5-3-1;1-2/h3-6H2,1-2H3;1-6H;1-2H3.
What are the key properties of benzene;1,4-dimethoxybutane;ethane?
benzene;1,4-dimethoxybutane;ethane has a molecular weight of 226.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,4-dimethoxybutane;ethane is sourced from PubChem (CID 143037536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).